| CAS Number | 207405-69-4 |
| Catalog Number | AG019ENB(AGN-PC-0WA2AF) |
| Chemical Name | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, 1,1-dimethylethyl ester, (1R,4R,5S)- |
| IUPAC Name | tert-butyl (1R,4R,5S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| InChI | InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m1/s1 |
| InChI Key | HDPGSWMTDGGUEB-HLTSFMKQSA-N |
| MDL Number | MFCD17016678 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | O=C(N1[C@H](C2)C[C@H](O)[C@H]2C1)OC(C)(C)C |
| Synonyms | (1R,4R,5S)-tert-Butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,
198835-03-9,
SCHEMBL12276853,
(1R,4R,5S)-rel-tert-Butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,
ZINC40435204,
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, 1,1-dimethylethyl ester, (1R,4R,5S)-rel-,
207405-69-4,
AJ-102221,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136493g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.27g/mol |
| Monoisotopic Mass | 213.136493g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number